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Title: Materials Data on NaMoO3 by Materials Project

Abstract

NaMoO3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form distorted NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. There are a spread of Na–O bond distances ranging from 2.52–3.01 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. All Mo–O bond lengths are 1.97 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Mo5+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-998627
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; NaMoO3; Mo-Na-O
OSTI Identifier:
1317376
DOI:
https://doi.org/10.17188/1317376

Citation Formats

The Materials Project. Materials Data on NaMoO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317376.
The Materials Project. Materials Data on NaMoO3 by Materials Project. United States. doi:https://doi.org/10.17188/1317376
The Materials Project. 2020. "Materials Data on NaMoO3 by Materials Project". United States. doi:https://doi.org/10.17188/1317376. https://www.osti.gov/servlets/purl/1317376. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1317376,
title = {Materials Data on NaMoO3 by Materials Project},
author = {The Materials Project},
abstractNote = {NaMoO3 crystallizes in the trigonal R3c space group. The structure is three-dimensional. Na1+ is bonded to twelve equivalent O2- atoms to form distorted NaO12 cuboctahedra that share corners with twelve equivalent NaO12 cuboctahedra, faces with six equivalent NaO12 cuboctahedra, and faces with eight equivalent MoO6 octahedra. There are a spread of Na–O bond distances ranging from 2.52–3.01 Å. Mo5+ is bonded to six equivalent O2- atoms to form MoO6 octahedra that share corners with six equivalent MoO6 octahedra and faces with eight equivalent NaO12 cuboctahedra. The corner-sharing octahedral tilt angles are 14°. All Mo–O bond lengths are 1.97 Å. O2- is bonded in a 6-coordinate geometry to four equivalent Na1+ and two equivalent Mo5+ atoms.},
doi = {10.17188/1317376},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}